1-[ethyl(propyl)amino]-3-(4-fluoro-2,6-dimethylphenyl)propan-2-one

C16H24FNO — CID 157453327

IUPAC1-[ethyl(propyl)amino]-3-(4-fluoro-2,6-dimethylphenyl)propan-2-one
SMILESCCCN(CC)CC(=O)Cc1c(C)cc(F)cc1C
InChIInChI=1S/C16H24FNO/c1-5-7-18(6-2)11-15(19)10-16-12(3)8-14(17)9-13(16)4/h8-9H,5-7,10-11H2,1-4H3
InChIKeyZPFREKUPYWYJQQ-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.29
Rot. Bonds7

About 1-[ethyl(propyl)amino]-3-(4-fluoro-2,6-dimethylphenyl)propan-2-one

1-[ethyl(propyl)amino]-3-(4-fluoro-2,6-dimethylphenyl)propan-2-one (PubChem CID 157453327) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-[ethyl(propyl)amino]-3-(4-fluoro-2,6-dimethylphenyl)propan-2-one.

Molecular Properties

Compound Name1-[ethyl(propyl)amino]-3-(4-fluoro-2,6-dimethylphenyl)propan-2-one
PubChem CID157453327
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name1-[ethyl(propyl)amino]-3-(4-fluoro-2,6-dimethylphenyl)propan-2-one
SMILESCCCN(CC)CC(=O)Cc1c(C)cc(F)cc1C
InChIInChI=1S/C16H24FNO/c1-5-7-18(6-2)11-15(19)10-16-12(3)8-14(17)9-13(16)4/h8-9H,5-7,10-11H2,1-4H3
InChIKeyZPFREKUPYWYJQQ-UHFFFAOYSA-N
XLogP3.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(propyl)amino]-3-(4-fluoro-2,6-dimethylphenyl)propan-2-one?
The IUPAC name of 1-[ethyl(propyl)amino]-3-(4-fluoro-2,6-dimethylphenyl)propan-2-one (CID 157453327) is 1-[ethyl(propyl)amino]-3-(4-fluoro-2,6-dimethylphenyl)propan-2-one.
What is the SMILES notation for 1-[ethyl(propyl)amino]-3-(4-fluoro-2,6-dimethylphenyl)propan-2-one?
The canonical SMILES for 1-[ethyl(propyl)amino]-3-(4-fluoro-2,6-dimethylphenyl)propan-2-one is CCCN(CC)CC(=O)Cc1c(C)cc(F)cc1C.
What is the InChIKey of 1-[ethyl(propyl)amino]-3-(4-fluoro-2,6-dimethylphenyl)propan-2-one?
The InChIKey is ZPFREKUPYWYJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-5-7-18(6-2)11-15(19)10-16-12(3)8-14(17)9-13(16)4/h8-9H,5-7,10-11H2,1-4H3.
What are the key properties of 1-[ethyl(propyl)amino]-3-(4-fluoro-2,6-dimethylphenyl)propan-2-one?
1-[ethyl(propyl)amino]-3-(4-fluoro-2,6-dimethylphenyl)propan-2-one has a molecular weight of 265.37 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(propyl)amino]-3-(4-fluoro-2,6-dimethylphenyl)propan-2-one is sourced from PubChem (CID 157453327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).